Studies of estrogen receptor structure using molecular dynamics
利用分子动力学研究雌激素受体结构
基本信息
- 批准号:12836001
- 负责人:
- 金额:$ 2.37万
- 依托单位:
- 依托单位国家:日本
- 项目类别:Grant-in-Aid for Scientific Research (C)
- 财政年份:2000
- 资助国家:日本
- 起止时间:2000 至 2001
- 项目状态:已结题
- 来源:
- 关键词:
项目摘要
In primary cultures of immature male rainbow trout (rt) hepatocytes, vitellogenin (Vg) gene expression regulated by E2 via the estrogen receptor (ER). However, steroids other than estrogens can also stimulate Vg gene expression. These steroids are hardly converted into E2 during incubation and their stimulatory activity is completely inhibited by tamoxifen implying rtER involvement. These steroids have no or a slightly positive charge on the Connolly surface. In contrast, steroids that failed to stimulate Vg gene expression had a strong positive or negative charge around rings C and D due to polarization. The ammo acid sequences of the ligand binding domains (LBD) of rtER and human ERa have 57.7% homology; only one amino acid differs in the presumed steroid binding site. We modeled the three-dimensional structure of the LBD of rtER using X-ray crystallographic data for hERa in order to investigate the fit (structural and electrostatic) between steroid and rtER. Two factors are essential for binding to rtER: (i) hydroxyl or carbonyl groupsi near C3 andI C17 of the steroids (hydrophilic regions) that can form hydrogen bonds with His(489), Arg(359) and Glu(318), (ii) a hydrophobic steroid nucleus that interacts with a hydrophobic region of the rtER LBD through van der Waals forces. If polar functional groups are present, the hydrophobic interaction between steroid and the rtER LBD is considerably weakened.
在原代培养的未成熟雄性虹鳟鱼(RT)肝细胞中,卵黄蛋白原(VG)基因的表达受雌激素受体(ER)调节。然而,雌激素以外的类固醇也可以刺激VG基因的表达。这些类固醇在孵育过程中几乎不会转化为E2,它们的刺激活性可被三苯氧胺完全抑制,这意味着它参与了雌激素受体的作用。这些类固醇在康诺利表面不带电荷或略带正电荷。相反,由于极化,未能刺激VG基因表达的类固醇在C和D环周围有很强的正电荷或负电荷。Rter与人Era的配体结合区(LBD)的氨基酸序列有57.7%的同源性,推测的类固醇结合部位只有一个氨基酸不同。我们利用HERA的X射线结晶学数据模拟了RTER的LBD的三维结构,以研究类固醇和RTER之间的匹配(结构和静电)。与RTER结合的两个因素是:(I)类固醇C3和Di C17附近的羟基或羰基,它们可以与His(489),Arg(359)和Glu(318)形成氢键,(Ii)通过van der Waals力与RTER LBD的疏水区域相互作用的疏水类固醇核。如果存在极性官能团,则类固醇与RTER LBD之间的疏水相互作用会大大减弱。
项目成果
期刊论文数量(4)
专著数量(0)
科研奖励数量(0)
会议论文数量(0)
专利数量(0)
Tsukasa Mori: "Electrostatic interactions of androgens and progesterone derivatives with rainbow trout estrogen receptor"Journal of Steroid Biochemistry & Molecular Biology. Vol.75(2-3). 129-137 (2001)
Tsukasa Mori:“雄激素和黄体酮衍生物与虹鳟鱼雌激素受体的静电相互作用”类固醇生物化学杂志
- DOI:
- 发表时间:
- 期刊:
- 影响因子:0
- 作者:
- 通讯作者:
Tsukasa Mori: "Electrostatic interactions of androgens and progesterone derivatives with rainbow trout estrogen receptor"Journal of Steroid Biochemistry and Molecular Biology. 75. 129-137 (2000)
Tsukasa Mori:“雄激素和黄体酮衍生物与虹鳟鱼雌激素受体的静电相互作用”类固醇生物化学与分子生物学杂志。
- DOI:
- 发表时间:
- 期刊:
- 影响因子:0
- 作者:
- 通讯作者:
Tsukasa Mor, Shigeyuki Sumiya, Hiroaki Yokota: "Electrostatic interactions of androgens and progesterone derivatives with raibow trout estrogen receptor"Journal of Steroid Biochemistry & Molecular Biology. 75. 129-137 (2000)
Tsukasa Mor、Shigeyuki Sumiya、Hiroaki Yokota:“雄激素和黄体酮衍生物与虹鳟鱼雌激素受体的静电相互作用”类固醇生物化学杂志
- DOI:
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- 影响因子:0
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MORI Tsukasa其他文献
MORI Tsukasa的其他文献
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Effects of fear stress on the development of neural network in tadpoles
恐惧应激对蝌蚪神经网络发育的影响
- 批准号:
17K19931 - 财政年份:2017
- 资助金额:
$ 2.37万 - 项目类别:
Grant-in-Aid for Challenging Research (Exploratory)
Omics analysis based on signal transduction using GH transgenic Amago salmon
基于 GH 转基因 Amago 鲑鱼信号转导的组学分析
- 批准号:
17H03864 - 财政年份:2017
- 资助金额:
$ 2.37万 - 项目类别:
Grant-in-Aid for Scientific Research (B)
signal transduction in the brains of Xenopus tadpoles under exposure to a predation fear
非洲爪蟾蝌蚪在捕食恐惧下大脑中的信号转导
- 批准号:
26670729 - 财政年份:2014
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$ 2.37万 - 项目类别:
Grant-in-Aid for Challenging Exploratory Research
Food safety assessment of GH transgenic amago based on gene expression profiles and metabolic analysis.
基于基因表达谱和代谢分析的 GH 转基因 amago 食品安全评估。
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23380117 - 财政年份:2011
- 资助金额:
$ 2.37万 - 项目类别:
Grant-in-Aid for Scientific Research (B)
Studies of growth and death for GH transgenic amago using proteome and transcriptome analysis
使用蛋白质组和转录组分析研究 GH 转基因 amago 的生长和死亡
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17380120 - 财政年份:2005
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$ 2.37万 - 项目类别:
Grant-in-Aid for Scientific Research (B)
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14360104 - 财政年份:2002
- 资助金额:
$ 2.37万 - 项目类别:
Grant-in-Aid for Scientific Research (B)
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